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144256-11-1 | Benzenepropanoic acid, 4-hydroxy-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
CAS No: 144256-11-1 Catalog No: AG001J6R MDL No:MFCD11045071
Product Description
Catalog Number:
AG001J6R
Chemical Name:
Benzenepropanoic acid, 4-hydroxy-, [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester
CAS Number:
144256-11-1
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
MDL Number:
MFCD11045071
IUPAC Name:
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-(4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C15H20O5/c1-15(2)19-10-13(20-15)9-18-14(17)8-5-11-3-6-12(16)7-4-11/h3-4,6-7,13,16H,5,8-10H2,1-2H3/t13-/m1/s1
InChI Key:
TWMFOGUTFPLVQZ-CYBMUJFWSA-N
SMILES:
O=C(OC[C@@H]1COC(O1)(C)C)CCc1ccc(cc1)O
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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